N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride

C17H26ClN3S — CID 120844372

IUPACN'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCC(C)(C)c1cnc(CN(CCN)Cc2ccccc2)s1.Cl
InChIInChI=1S/C17H25N3S.ClH/c1-17(2,3)15-11-19-16(21-15)13-20(10-9-18)12-14-7-5-4-6-8-14;/h4-8,11H,9-10,12-13,18H2,1-3H3;1H
InChIKeyRSVXVZQAMOKZIH-UHFFFAOYSA-N
MW339.94 g/mol
LogP3.82
Rot. Bonds6

About N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride

N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120844372) has the molecular formula C17H26ClN3S and a molecular weight of 339.94 g/mol. Its IUPAC name is N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120844372
Molecular FormulaC17H26ClN3S
Molecular Weight339.94 g/mol
Exact Mass339.15
IUPAC NameN'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCC(C)(C)c1cnc(CN(CCN)Cc2ccccc2)s1.Cl
InChIInChI=1S/C17H25N3S.ClH/c1-17(2,3)15-11-19-16(21-15)13-20(10-9-18)12-14-7-5-4-6-8-14;/h4-8,11H,9-10,12-13,18H2,1-3H3;1H
InChIKeyRSVXVZQAMOKZIH-UHFFFAOYSA-N
XLogP3.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.94
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N'-benzyl-N'-[(5-chloro-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 104973899
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-(thiadiazol-5-ylmethyl)ethane-1,2-diamine
CID 130600119
N'-[[5-(methoxymethyl)-1,3-thiazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912923
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-benzyl-N'-[(4-bromo-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844337
N'-benzyl-N'-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]ethane-1,2-diamine;hydrochloride
CID 120844370
N'-benzyl-N'-[(4-chloro-1-methylpyrazol-5-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120844295
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 120844378

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 120844372) is N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride is CC(C)(C)c1cnc(CN(CCN)Cc2ccccc2)s1.Cl.
What is the InChIKey of N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is RSVXVZQAMOKZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S.ClH/c1-17(2,3)15-11-19-16(21-15)13-20(10-9-18)12-14-7-5-4-6-8-14;/h4-8,11H,9-10,12-13,18H2,1-3H3;1H.
What are the key properties of N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride?
N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 339.94 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120844372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).